5-[(4-methyl-2-nitroanilino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Chemical Structure Depiction of
5-[(4-methyl-2-nitroanilino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
5-[(4-methyl-2-nitroanilino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Compound characteristics
| Compound ID: | 8003-4159 |
| Compound Name: | 5-[(4-methyl-2-nitroanilino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione |
| Molecular Weight: | 306.3 |
| Molecular Formula: | C12 H10 N4 O4 S |
| Smiles: | Cc1ccc(c(c1)[N+]([O-])=O)NC=C1C(NC(NC1=O)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1 |
| logD: | 1.2429 |
| logSw: | -2.957 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 93.609 |
| InChI Key: | RQTFUSLXSYGBML-UHFFFAOYSA-N |